2-Bromo-3-fluoroquinoline

Base Information

• Chemical Name: 2-Bromo-3-fluoroquinoline
• CAS No.: 834883-99-7
• Molecular Formula: C₉H₅BrFN
• Molecular Weight: 226.048
• DSSTox Substance ID: DTXSID40479736
• Nikkaji Number: J2.136.902K
• Mol file: 834883-99-7.mol

Synonyms:2-Bromo-3-fluoroquinoline;834883-99-7;DTXSID40479736;AKOS024263636;FT-0720987

Chemical Property of 2-Bromo-3-fluoroquinoline

Chemical Property:

• Melting Point: 82-83 °C(Solv: hexane (110-54-3))
• Boiling Point: 292.4±20.0 °C(Predicted)
• PKA: -2.20±0.50(Predicted)
• PSA: 12.89000
• Density: 1.647±0.06 g/cm3(Predicted)
• LogP: 3.13640
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 224.95894
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=N2)Br)F

Technology Process of 2-Bromo-3-fluoroquinoline

There total 1 articles about 2-Bromo-3-fluoroquinoline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

fluoroquinolone (124467-22-7) → 2-bromo-3-fluoroquinoline (834883-99-7)

Guidance literature:

With phosphorus(V) oxybromide; at 150 ℃; for 0.5h;

DOI:10.1016/j.tet.2004.10.053

Reference yield: 72.0%

carbon dioxide (124-38-9,18923-20-1) + 2-bromo-3-fluoroquinoline (834883-99-7) → 3-fluoroquinoline-2-carboxylic acid (834884-07-0)

Guidance literature:

2-bromo-3-fluoroquinoline; With n-butyllithium; In diethyl ether; hexane; at -75 ℃; for 0.75h;

carbon dioxide; In diethyl ether; hexane;

DOI:10.1016/j.tet.2004.10.053

upstream raw materials:

fluoroquinolone

Downstream raw materials:

3-fluoroquinoline-2-carboxylic acid

Refernces